USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 ASN : amide:sc= 0 K(o=1.1,f=0.31) USER MOD Set 1.2: A 44 CYS SG : rot 116:sc= 0.738 USER MOD Set 1.3: A 54 CYS SG : rot 147:sc= 0.162 USER MOD Set 1.4: A 57 CYS SG : rot 140:sc= 0.187 USER MOD Set 2.1: A 2 CYS SG : rot 145:sc= 1.03 USER MOD Set 2.2: A 5 CYS SG : rot -31:sc= 0.447 USER MOD Set 2.3: A 19 CYS SG : rot -123:sc= 0.47 USER MOD Set 2.4: A 22 CYS SG : rot 148:sc= 0.173 USER MOD Single : A 1 LEU N :NH3+ -140:sc= -0.535 (180deg=-2.77!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0648 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.625 F(o=-1.9,f=-0.62) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.059) USER MOD Single : A 34 HIS : no HE2:sc= -0.635 X(o=-0.64,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.76) USER MOD Single : A 36 TYR OH : rot 110:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 0.179 (180deg=0.0255) USER MOD Single : A 62 CYS SG : rot 110:sc= 0.399 USER MOD Single : A 64 GLN : amide:sc=-0.00512 X(o=-0.0051,f=-0.0051) USER MOD Single : A 67 MET CE :methyl -162:sc= -1.12 (180deg=-1.64) USER MOD Single : A 68 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.732 5.468 4.449 1.00 0.00 N ATOM 2 CA LEU A 1 10.372 5.979 4.269 1.00 0.00 C ATOM 3 C LEU A 1 9.592 5.043 3.388 1.00 0.00 C ATOM 4 O LEU A 1 10.104 4.542 2.388 1.00 0.00 O ATOM 5 CB LEU A 1 10.358 7.383 3.601 1.00 0.00 C ATOM 6 CG LEU A 1 10.908 8.577 4.428 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.164 8.785 5.759 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.435 8.551 4.624 1.00 0.00 C ATOM 0 H1 LEU A 1 12.031 5.615 5.434 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.753 4.452 4.229 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.380 5.973 3.812 1.00 0.00 H new ATOM 0 HA LEU A 1 9.926 6.055 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.932 7.321 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.330 7.612 3.322 1.00 0.00 H new ATOM 0 HG LEU A 1 10.701 9.451 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.596 9.634 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.110 8.980 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.258 7.889 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.741 9.417 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.719 7.639 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.927 8.579 3.652 1.00 0.00 H new ATOM 22 N CYS A 2 8.279 4.849 3.727 1.00 0.00 N ATOM 23 CA CYS A 2 7.246 4.072 3.072 1.00 0.00 C ATOM 24 C CYS A 2 7.052 4.785 1.776 1.00 0.00 C ATOM 25 O CYS A 2 6.976 6.008 1.772 1.00 0.00 O ATOM 26 CB CYS A 2 5.939 3.977 3.918 1.00 0.00 C ATOM 27 SG CYS A 2 4.602 3.030 3.110 1.00 0.00 S ATOM 0 H CYS A 2 7.906 5.296 4.565 1.00 0.00 H new ATOM 0 HA CYS A 2 7.526 3.027 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.171 3.513 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.581 4.984 4.130 1.00 0.00 H new ATOM 0 HG CYS A 2 3.931 2.374 4.009 1.00 0.00 H new ATOM 32 N LEU A 3 6.994 4.043 0.651 1.00 0.00 N ATOM 33 CA LEU A 3 6.916 4.660 -0.646 1.00 0.00 C ATOM 34 C LEU A 3 5.545 4.526 -1.235 1.00 0.00 C ATOM 35 O LEU A 3 5.330 4.617 -2.442 1.00 0.00 O ATOM 36 CB LEU A 3 7.945 4.036 -1.589 1.00 0.00 C ATOM 37 CG LEU A 3 9.398 4.392 -1.200 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.426 3.516 -1.934 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.715 5.889 -1.392 1.00 0.00 C ATOM 0 H LEU A 3 7.001 3.023 0.636 1.00 0.00 H new ATOM 0 HA LEU A 3 7.131 5.721 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.826 2.952 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.752 4.374 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 3 9.480 4.179 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.432 3.803 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.256 2.469 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.320 3.655 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.748 6.082 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.574 6.160 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.047 6.485 -0.770 1.00 0.00 H new ATOM 51 N VAL A 4 4.585 4.323 -0.326 1.00 0.00 N ATOM 52 CA VAL A 4 3.189 4.145 -0.594 1.00 0.00 C ATOM 53 C VAL A 4 2.438 5.238 0.081 1.00 0.00 C ATOM 54 O VAL A 4 1.842 6.075 -0.589 1.00 0.00 O ATOM 55 CB VAL A 4 2.656 2.770 -0.116 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.208 2.509 -0.561 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.646 1.643 -0.445 1.00 0.00 C ATOM 0 H VAL A 4 4.795 4.279 0.671 1.00 0.00 H new ATOM 0 HA VAL A 4 3.046 4.177 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 4 2.594 2.792 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.886 1.532 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.557 3.281 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.153 2.529 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.243 0.692 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.802 1.599 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.597 1.838 0.051 1.00 0.00 H new ATOM 67 N CYS A 5 2.418 5.212 1.432 1.00 0.00 N ATOM 68 CA CYS A 5 1.669 6.150 2.233 1.00 0.00 C ATOM 69 C CYS A 5 2.617 7.121 2.864 1.00 0.00 C ATOM 70 O CYS A 5 2.264 7.781 3.836 1.00 0.00 O ATOM 71 CB CYS A 5 0.701 5.502 3.274 1.00 0.00 C ATOM 72 SG CYS A 5 1.406 4.510 4.655 1.00 0.00 S ATOM 0 H CYS A 5 2.933 4.525 1.983 1.00 0.00 H new ATOM 0 HA CYS A 5 0.994 6.677 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.108 6.303 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.012 4.859 2.726 1.00 0.00 H new ATOM 0 HG CYS A 5 2.508 3.943 4.263 1.00 0.00 H new ATOM 77 N SER A 6 3.841 7.238 2.278 1.00 0.00 N ATOM 78 CA SER A 6 4.854 8.264 2.547 1.00 0.00 C ATOM 79 C SER A 6 5.069 8.612 4.005 1.00 0.00 C ATOM 80 O SER A 6 5.050 9.770 4.419 1.00 0.00 O ATOM 81 CB SER A 6 4.639 9.509 1.663 1.00 0.00 C ATOM 82 OG SER A 6 4.082 9.177 0.394 1.00 0.00 O ATOM 0 H SER A 6 4.152 6.575 1.567 1.00 0.00 H new ATOM 0 HA SER A 6 5.799 7.800 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.979 10.208 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.591 10.019 1.518 1.00 0.00 H new ATOM 0 HG SER A 6 3.960 9.994 -0.134 1.00 0.00 H new ATOM 88 N ASP A 7 5.241 7.536 4.793 1.00 0.00 N ATOM 89 CA ASP A 7 5.290 7.518 6.237 1.00 0.00 C ATOM 90 C ASP A 7 6.655 6.995 6.577 1.00 0.00 C ATOM 91 O ASP A 7 7.355 6.527 5.691 1.00 0.00 O ATOM 92 CB ASP A 7 4.167 6.527 6.682 1.00 0.00 C ATOM 93 CG ASP A 7 3.951 6.342 8.193 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.642 7.348 8.882 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.092 5.182 8.667 1.00 0.00 O ATOM 0 H ASP A 7 5.355 6.603 4.397 1.00 0.00 H new ATOM 0 HA ASP A 7 5.134 8.482 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.227 6.864 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.388 5.551 6.250 1.00 0.00 H new ATOM 100 N GLU A 8 7.064 7.008 7.877 1.00 0.00 N ATOM 101 CA GLU A 8 8.323 6.450 8.349 1.00 0.00 C ATOM 102 C GLU A 8 8.272 4.941 8.205 1.00 0.00 C ATOM 103 O GLU A 8 7.451 4.291 8.853 1.00 0.00 O ATOM 104 CB GLU A 8 8.803 6.877 9.768 1.00 0.00 C ATOM 105 CG GLU A 8 8.166 8.148 10.386 1.00 0.00 C ATOM 106 CD GLU A 8 6.746 7.934 10.928 1.00 0.00 C ATOM 107 OE1 GLU A 8 6.550 6.997 11.747 1.00 0.00 O ATOM 108 OE2 GLU A 8 5.843 8.719 10.533 1.00 0.00 O ATOM 0 H GLU A 8 6.504 7.419 8.624 1.00 0.00 H new ATOM 0 HA GLU A 8 9.090 6.888 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.622 6.045 10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.882 7.027 9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.803 8.504 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.141 8.933 9.631 1.00 0.00 H new ATOM 115 N ALA A 9 9.135 4.360 7.328 1.00 0.00 N ATOM 116 CA ALA A 9 9.138 2.941 7.031 1.00 0.00 C ATOM 117 C ALA A 9 9.941 2.175 8.041 1.00 0.00 C ATOM 118 O ALA A 9 10.794 2.720 8.739 1.00 0.00 O ATOM 119 CB ALA A 9 9.684 2.596 5.628 1.00 0.00 C ATOM 0 H ALA A 9 9.844 4.885 6.816 1.00 0.00 H new ATOM 0 HA ALA A 9 8.088 2.651 7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.654 1.516 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.071 3.083 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.713 2.945 5.542 1.00 0.00 H new ATOM 125 N SER A 10 9.654 0.849 8.096 1.00 0.00 N ATOM 126 CA SER A 10 10.304 -0.123 8.941 1.00 0.00 C ATOM 127 C SER A 10 11.433 -0.702 8.128 1.00 0.00 C ATOM 128 O SER A 10 12.565 -0.800 8.600 1.00 0.00 O ATOM 129 CB SER A 10 9.356 -1.258 9.383 1.00 0.00 C ATOM 130 OG SER A 10 8.275 -0.737 10.142 1.00 0.00 O ATOM 0 H SER A 10 8.925 0.433 7.516 1.00 0.00 H new ATOM 0 HA SER A 10 10.648 0.362 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.974 -1.782 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.906 -1.988 9.977 1.00 0.00 H new ATOM 0 HG SER A 10 7.683 -1.469 10.413 1.00 0.00 H new ATOM 136 N GLY A 11 11.126 -1.083 6.864 1.00 0.00 N ATOM 137 CA GLY A 11 12.090 -1.630 5.947 1.00 0.00 C ATOM 138 C GLY A 11 11.329 -2.218 4.804 1.00 0.00 C ATOM 139 O GLY A 11 10.101 -2.300 4.831 1.00 0.00 O ATOM 0 H GLY A 11 10.187 -1.008 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.771 -0.854 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.698 -2.391 6.436 1.00 0.00 H new ATOM 143 N CYS A 12 12.071 -2.676 3.759 1.00 0.00 N ATOM 144 CA CYS A 12 11.536 -3.318 2.566 1.00 0.00 C ATOM 145 C CYS A 12 11.224 -4.746 2.934 1.00 0.00 C ATOM 146 O CYS A 12 11.894 -5.295 3.810 1.00 0.00 O ATOM 147 CB CYS A 12 12.493 -3.245 1.341 1.00 0.00 C ATOM 148 SG CYS A 12 14.219 -3.771 1.674 1.00 0.00 S ATOM 0 H CYS A 12 13.088 -2.597 3.741 1.00 0.00 H new ATOM 0 HA CYS A 12 10.640 -2.786 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.087 -3.867 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.506 -2.220 0.970 1.00 0.00 H new ATOM 0 HG CYS A 12 14.921 -3.671 0.585 1.00 0.00 H new ATOM 154 N HIS A 13 10.195 -5.377 2.304 1.00 0.00 N ATOM 155 CA HIS A 13 9.837 -6.717 2.757 1.00 0.00 C ATOM 156 C HIS A 13 9.331 -7.583 1.650 1.00 0.00 C ATOM 157 O HIS A 13 9.266 -8.802 1.806 1.00 0.00 O ATOM 158 CB HIS A 13 8.794 -6.687 3.897 1.00 0.00 C ATOM 159 CG HIS A 13 8.705 -7.973 4.684 1.00 0.00 C ATOM 160 ND1 HIS A 13 7.706 -8.893 4.724 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 9.746 -8.356 5.515 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 8.120 -9.869 5.600 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 9.348 -9.498 6.042 1.00 0.00 N flip ATOM 0 H HIS A 13 9.642 -4.998 1.535 1.00 0.00 H new ATOM 0 HA HIS A 13 10.763 -7.149 3.136 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.040 -5.873 4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.815 -6.464 3.474 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.826 -8.865 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.676 -7.836 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.574 -10.757 5.881 1.00 0.00 H new ATOM 171 N TYR A 14 8.958 -6.972 0.506 1.00 0.00 N ATOM 172 CA TYR A 14 8.478 -7.653 -0.662 1.00 0.00 C ATOM 173 C TYR A 14 9.400 -7.038 -1.665 1.00 0.00 C ATOM 174 O TYR A 14 10.595 -7.334 -1.624 1.00 0.00 O ATOM 175 CB TYR A 14 6.934 -7.531 -0.862 1.00 0.00 C ATOM 176 CG TYR A 14 6.198 -8.323 0.226 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.545 -9.654 0.552 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.134 -7.761 0.944 1.00 0.00 C ATOM 179 CE1 TYR A 14 5.984 -10.326 1.640 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.552 -8.432 2.025 1.00 0.00 C ATOM 181 CZ TYR A 14 4.990 -9.707 2.394 1.00 0.00 C ATOM 182 OH TYR A 14 4.422 -10.369 3.504 1.00 0.00 O ATOM 0 H TYR A 14 8.993 -5.959 0.391 1.00 0.00 H new ATOM 0 HA TYR A 14 8.520 -8.742 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.636 -6.483 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.656 -7.906 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.269 -10.169 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.756 -6.791 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.319 -11.320 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.755 -7.960 2.581 1.00 0.00 H new ATOM 0 HH TYR A 14 3.745 -9.793 3.917 1.00 0.00 H new ATOM 192 N GLY A 15 8.918 -6.151 -2.553 1.00 0.00 N ATOM 193 CA GLY A 15 9.755 -5.544 -3.569 1.00 0.00 C ATOM 194 C GLY A 15 10.206 -4.141 -3.267 1.00 0.00 C ATOM 195 O GLY A 15 11.105 -3.653 -3.953 1.00 0.00 O ATOM 0 H GLY A 15 7.945 -5.846 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.636 -6.169 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.209 -5.539 -4.512 1.00 0.00 H new ATOM 199 N VAL A 16 9.622 -3.446 -2.250 1.00 0.00 N ATOM 200 CA VAL A 16 9.868 -2.020 -2.061 1.00 0.00 C ATOM 201 C VAL A 16 9.949 -1.733 -0.595 1.00 0.00 C ATOM 202 O VAL A 16 9.397 -2.458 0.231 1.00 0.00 O ATOM 203 CB VAL A 16 8.752 -1.127 -2.693 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.957 0.394 -2.674 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.446 -1.515 -4.140 1.00 0.00 C ATOM 0 H VAL A 16 8.988 -3.860 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 16 10.804 -1.778 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 16 7.924 -1.339 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.104 0.882 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.046 0.736 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.866 0.645 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.664 -0.865 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.347 -1.406 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.109 -2.551 -4.175 1.00 0.00 H new ATOM 215 N LEU A 17 10.573 -0.565 -0.295 1.00 0.00 N ATOM 216 CA LEU A 17 10.770 0.070 0.994 1.00 0.00 C ATOM 217 C LEU A 17 9.418 0.598 1.418 1.00 0.00 C ATOM 218 O LEU A 17 8.965 1.623 0.910 1.00 0.00 O ATOM 219 CB LEU A 17 11.832 1.196 0.919 1.00 0.00 C ATOM 220 CG LEU A 17 12.181 1.920 2.244 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.730 0.967 3.319 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.137 3.102 1.998 1.00 0.00 C ATOM 0 H LEU A 17 10.985 -0.003 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 17 11.154 -0.641 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.750 0.770 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.484 1.943 0.206 1.00 0.00 H new ATOM 0 HG LEU A 17 11.245 2.317 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.956 1.531 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.985 0.204 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.639 0.490 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.364 3.590 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.060 2.736 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.665 3.818 1.325 1.00 0.00 H new ATOM 234 N THR A 18 8.745 -0.122 2.340 1.00 0.00 N ATOM 235 CA THR A 18 7.401 0.174 2.778 1.00 0.00 C ATOM 236 C THR A 18 7.411 0.278 4.255 1.00 0.00 C ATOM 237 O THR A 18 8.422 0.019 4.903 1.00 0.00 O ATOM 238 CB THR A 18 6.414 -0.990 2.422 1.00 0.00 C ATOM 239 OG1 THR A 18 6.985 -2.278 2.655 1.00 0.00 O ATOM 240 CG2 THR A 18 5.945 -0.916 0.977 1.00 0.00 C ATOM 0 H THR A 18 9.146 -0.940 2.799 1.00 0.00 H new ATOM 0 HA THR A 18 7.079 1.093 2.289 1.00 0.00 H new ATOM 0 HB THR A 18 5.559 -0.859 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.334 -2.972 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.263 -1.741 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.430 0.030 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.805 -0.984 0.311 1.00 0.00 H new ATOM 248 N CYS A 19 6.224 0.630 4.820 1.00 0.00 N ATOM 249 CA CYS A 19 6.052 0.748 6.259 1.00 0.00 C ATOM 250 C CYS A 19 5.797 -0.645 6.811 1.00 0.00 C ATOM 251 O CYS A 19 5.968 -1.649 6.117 1.00 0.00 O ATOM 252 CB CYS A 19 5.062 1.822 6.819 1.00 0.00 C ATOM 253 SG CYS A 19 3.290 1.713 6.387 1.00 0.00 S ATOM 0 H CYS A 19 5.382 0.833 4.282 1.00 0.00 H new ATOM 0 HA CYS A 19 6.986 1.174 6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.136 1.801 7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.419 2.799 6.494 1.00 0.00 H new ATOM 0 HG CYS A 19 2.911 2.823 5.825 1.00 0.00 H new ATOM 258 N GLY A 20 5.361 -0.729 8.088 1.00 0.00 N ATOM 259 CA GLY A 20 5.056 -1.975 8.759 1.00 0.00 C ATOM 260 C GLY A 20 3.727 -2.494 8.287 1.00 0.00 C ATOM 261 O GLY A 20 3.580 -3.680 8.010 1.00 0.00 O ATOM 0 H GLY A 20 5.215 0.092 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.836 -2.709 8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.035 -1.822 9.838 1.00 0.00 H new ATOM 265 N SER A 21 2.751 -1.568 8.128 1.00 0.00 N ATOM 266 CA SER A 21 1.377 -1.837 7.747 1.00 0.00 C ATOM 267 C SER A 21 1.188 -2.168 6.281 1.00 0.00 C ATOM 268 O SER A 21 0.376 -3.037 5.977 1.00 0.00 O ATOM 269 CB SER A 21 0.434 -0.674 8.114 1.00 0.00 C ATOM 270 OG SER A 21 0.536 -0.363 9.497 1.00 0.00 O ATOM 0 H SER A 21 2.926 -0.574 8.273 1.00 0.00 H new ATOM 0 HA SER A 21 1.118 -2.726 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.683 0.205 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.594 -0.942 7.871 1.00 0.00 H new ATOM 0 HG SER A 21 -0.068 0.378 9.711 1.00 0.00 H new ATOM 276 N CYS A 22 1.935 -1.504 5.339 1.00 0.00 N ATOM 277 CA CYS A 22 1.802 -1.646 3.882 1.00 0.00 C ATOM 278 C CYS A 22 2.231 -3.001 3.396 1.00 0.00 C ATOM 279 O CYS A 22 1.797 -3.459 2.342 1.00 0.00 O ATOM 280 CB CYS A 22 2.430 -0.526 3.026 1.00 0.00 C ATOM 281 SG CYS A 22 1.436 1.002 3.172 1.00 0.00 S ATOM 0 H CYS A 22 2.663 -0.839 5.601 1.00 0.00 H new ATOM 0 HA CYS A 22 0.729 -1.537 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.453 -0.337 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.481 -0.839 1.983 1.00 0.00 H new ATOM 0 HG CYS A 22 2.217 2.038 3.083 1.00 0.00 H new ATOM 286 N LYS A 23 3.045 -3.686 4.231 1.00 0.00 N ATOM 287 CA LYS A 23 3.525 -5.039 4.096 1.00 0.00 C ATOM 288 C LYS A 23 2.346 -5.994 4.131 1.00 0.00 C ATOM 289 O LYS A 23 1.982 -6.617 3.139 1.00 0.00 O ATOM 290 CB LYS A 23 4.514 -5.386 5.237 1.00 0.00 C ATOM 291 CG LYS A 23 5.178 -6.780 5.187 1.00 0.00 C ATOM 292 CD LYS A 23 5.554 -7.322 6.582 1.00 0.00 C ATOM 293 CE LYS A 23 6.476 -6.408 7.405 1.00 0.00 C ATOM 294 NZ LYS A 23 6.587 -6.895 8.780 1.00 0.00 N ATOM 0 H LYS A 23 3.401 -3.250 5.082 1.00 0.00 H new ATOM 0 HA LYS A 23 4.050 -5.134 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.303 -4.634 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.983 -5.297 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.500 -7.482 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.075 -6.726 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.638 -7.494 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.040 -8.290 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.464 -6.370 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.084 -5.391 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.213 -6.266 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.645 -6.909 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.982 -7.857 8.777 1.00 0.00 H new ATOM 308 N VAL A 24 1.714 -6.058 5.320 1.00 0.00 N ATOM 309 CA VAL A 24 0.609 -6.892 5.755 1.00 0.00 C ATOM 310 C VAL A 24 -0.640 -6.681 4.951 1.00 0.00 C ATOM 311 O VAL A 24 -1.381 -7.618 4.664 1.00 0.00 O ATOM 312 CB VAL A 24 0.305 -6.620 7.261 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.741 -7.568 7.881 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.589 -6.589 8.117 1.00 0.00 C ATOM 0 H VAL A 24 2.014 -5.446 6.079 1.00 0.00 H new ATOM 0 HA VAL A 24 0.918 -7.926 5.604 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.145 -5.627 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.891 -7.308 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.684 -7.470 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.388 -8.597 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.328 -6.397 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.099 -7.549 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.248 -5.799 7.756 1.00 0.00 H new ATOM 324 N PHE A 25 -0.845 -5.408 4.562 1.00 0.00 N ATOM 325 CA PHE A 25 -1.905 -4.858 3.758 1.00 0.00 C ATOM 326 C PHE A 25 -1.898 -5.504 2.403 1.00 0.00 C ATOM 327 O PHE A 25 -2.890 -6.084 1.975 1.00 0.00 O ATOM 328 CB PHE A 25 -1.659 -3.339 3.621 1.00 0.00 C ATOM 329 CG PHE A 25 -2.611 -2.625 2.704 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.010 -2.734 2.806 1.00 0.00 C ATOM 331 CD2 PHE A 25 -2.051 -1.964 1.604 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.830 -2.210 1.799 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.865 -1.461 0.598 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.256 -1.576 0.689 1.00 0.00 C ATOM 0 H PHE A 25 -0.191 -4.678 4.844 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.873 -5.042 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.720 -2.885 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.643 -3.181 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.452 -3.222 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.980 -1.845 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.904 -2.294 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.421 -0.978 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.885 -1.178 -0.093 1.00 0.00 H new ATOM 344 N PHE A 26 -0.714 -5.412 1.756 1.00 0.00 N ATOM 345 CA PHE A 26 -0.364 -5.908 0.445 1.00 0.00 C ATOM 346 C PHE A 26 -0.454 -7.414 0.378 1.00 0.00 C ATOM 347 O PHE A 26 -0.999 -7.973 -0.560 1.00 0.00 O ATOM 348 CB PHE A 26 1.035 -5.390 0.032 1.00 0.00 C ATOM 349 CG PHE A 26 1.502 -5.846 -1.327 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.935 -5.351 -2.512 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.540 -6.783 -1.414 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.433 -5.748 -3.759 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.049 -7.170 -2.653 1.00 0.00 C ATOM 354 CZ PHE A 26 2.492 -6.664 -3.831 1.00 0.00 C ATOM 0 H PHE A 26 0.078 -4.943 2.195 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.089 -5.524 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.023 -4.300 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.761 -5.713 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.108 -4.658 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.951 -7.210 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.002 -5.349 -4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.876 -7.863 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.875 -6.977 -4.791 1.00 0.00 H new ATOM 364 N LYS A 27 0.053 -8.094 1.420 1.00 0.00 N ATOM 365 CA LYS A 27 0.111 -9.526 1.612 1.00 0.00 C ATOM 366 C LYS A 27 -1.284 -10.128 1.707 1.00 0.00 C ATOM 367 O LYS A 27 -1.506 -11.259 1.277 1.00 0.00 O ATOM 368 CB LYS A 27 1.089 -9.859 2.773 1.00 0.00 C ATOM 369 CG LYS A 27 1.181 -11.322 3.242 1.00 0.00 C ATOM 370 CD LYS A 27 1.616 -12.321 2.158 1.00 0.00 C ATOM 371 CE LYS A 27 0.746 -13.585 2.121 1.00 0.00 C ATOM 372 NZ LYS A 27 0.957 -14.426 3.297 1.00 0.00 N ATOM 0 H LYS A 27 0.465 -7.598 2.211 1.00 0.00 H new ATOM 0 HA LYS A 27 0.534 -10.018 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.087 -9.542 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.808 -9.250 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.885 -11.379 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.208 -11.627 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.577 -11.832 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.654 -12.606 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.305 -13.301 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.973 -14.156 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.351 -15.269 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.954 -14.718 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.716 -13.890 4.155 1.00 0.00 H new ATOM 386 N ARG A 28 -2.267 -9.336 2.214 1.00 0.00 N ATOM 387 CA ARG A 28 -3.670 -9.695 2.304 1.00 0.00 C ATOM 388 C ARG A 28 -4.371 -9.370 1.009 1.00 0.00 C ATOM 389 O ARG A 28 -5.191 -10.138 0.523 1.00 0.00 O ATOM 390 CB ARG A 28 -4.392 -8.966 3.468 1.00 0.00 C ATOM 391 CG ARG A 28 -4.831 -9.902 4.608 1.00 0.00 C ATOM 392 CD ARG A 28 -3.657 -10.595 5.330 1.00 0.00 C ATOM 393 NE ARG A 28 -4.161 -11.411 6.499 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.597 -10.843 7.671 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.206 -9.593 8.055 1.00 0.00 N ATOM 396 NH2 ARG A 28 -5.431 -11.560 8.482 1.00 0.00 N ATOM 0 H ARG A 28 -2.076 -8.403 2.578 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.712 -10.766 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.729 -8.201 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.269 -8.452 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.406 -9.329 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.498 -10.664 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.123 -11.240 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.946 -9.847 5.681 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.178 -12.427 6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.572 -9.053 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.547 -9.199 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.719 -12.501 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.765 -11.155 9.356 1.00 0.00 H new ATOM 410 N ALA A 29 -4.018 -8.214 0.418 1.00 0.00 N ATOM 411 CA ALA A 29 -4.587 -7.605 -0.770 1.00 0.00 C ATOM 412 C ALA A 29 -4.272 -8.328 -2.059 1.00 0.00 C ATOM 413 O ALA A 29 -4.937 -8.114 -3.071 1.00 0.00 O ATOM 414 CB ALA A 29 -4.104 -6.155 -0.909 1.00 0.00 C ATOM 0 H ALA A 29 -3.263 -7.645 0.801 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.666 -7.660 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.539 -5.711 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.413 -5.583 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.017 -6.140 -0.988 1.00 0.00 H new ATOM 420 N VAL A 30 -3.234 -9.196 -2.030 1.00 0.00 N ATOM 421 CA VAL A 30 -2.710 -9.923 -3.166 1.00 0.00 C ATOM 422 C VAL A 30 -3.312 -11.303 -3.245 1.00 0.00 C ATOM 423 O VAL A 30 -4.057 -11.605 -4.175 1.00 0.00 O ATOM 424 CB VAL A 30 -1.148 -9.970 -3.153 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.545 -10.955 -4.171 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.515 -8.581 -3.371 1.00 0.00 C ATOM 0 H VAL A 30 -2.730 -9.404 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.000 -9.384 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.905 -10.329 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.542 -10.930 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.900 -11.963 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.850 -10.670 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.571 -8.669 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.831 -8.185 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.837 -7.906 -2.578 1.00 0.00 H new ATOM 436 N GLU A 31 -2.940 -12.176 -2.284 1.00 0.00 N ATOM 437 CA GLU A 31 -3.333 -13.574 -2.244 1.00 0.00 C ATOM 438 C GLU A 31 -3.979 -13.853 -0.920 1.00 0.00 C ATOM 439 O GLU A 31 -3.631 -14.789 -0.200 1.00 0.00 O ATOM 440 CB GLU A 31 -2.194 -14.568 -2.576 1.00 0.00 C ATOM 441 CG GLU A 31 -0.909 -14.369 -1.749 1.00 0.00 C ATOM 442 CD GLU A 31 0.156 -15.401 -2.132 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.072 -16.613 -1.874 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.213 -14.990 -2.684 1.00 0.00 O ATOM 0 H GLU A 31 -2.343 -11.907 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.053 -13.742 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.558 -15.583 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.947 -14.478 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.521 -13.363 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.139 -14.455 -0.687 1.00 0.00 H new ATOM 451 N GLY A 32 -4.992 -13.022 -0.616 1.00 0.00 N ATOM 452 CA GLY A 32 -5.785 -13.132 0.594 1.00 0.00 C ATOM 453 C GLY A 32 -7.184 -12.700 0.288 1.00 0.00 C ATOM 454 O GLY A 32 -7.751 -13.096 -0.729 1.00 0.00 O ATOM 0 H GLY A 32 -5.276 -12.250 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.777 -14.159 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.361 -12.510 1.382 1.00 0.00 H new ATOM 458 N GLN A 33 -7.773 -11.863 1.187 1.00 0.00 N ATOM 459 CA GLN A 33 -9.108 -11.308 1.056 1.00 0.00 C ATOM 460 C GLN A 33 -8.908 -9.906 0.554 1.00 0.00 C ATOM 461 O GLN A 33 -8.021 -9.197 1.027 1.00 0.00 O ATOM 462 CB GLN A 33 -9.950 -11.377 2.360 1.00 0.00 C ATOM 463 CG GLN A 33 -9.461 -10.580 3.600 1.00 0.00 C ATOM 464 CD GLN A 33 -10.066 -9.164 3.659 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.292 -9.013 3.727 1.00 0.00 O ATOM 466 NE2 GLN A 33 -9.185 -8.118 3.631 1.00 0.00 N ATOM 0 H GLN A 33 -7.301 -11.561 2.039 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.704 -11.899 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.958 -11.036 2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.028 -12.425 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.726 -11.124 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.374 -10.508 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.182 -8.297 3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.531 -7.159 3.667 1.00 0.00 H new ATOM 475 N HIS A 34 -9.718 -9.495 -0.451 1.00 0.00 N ATOM 476 CA HIS A 34 -9.587 -8.216 -1.117 1.00 0.00 C ATOM 477 C HIS A 34 -10.912 -7.507 -1.019 1.00 0.00 C ATOM 478 O HIS A 34 -11.831 -7.981 -0.352 1.00 0.00 O ATOM 479 CB HIS A 34 -9.212 -8.388 -2.614 1.00 0.00 C ATOM 480 CG HIS A 34 -8.231 -9.504 -2.909 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.323 -10.166 -4.125 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.220 -10.035 -2.165 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.382 -11.086 -4.080 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.689 -11.053 -2.917 1.00 0.00 N ATOM 0 H HIS A 34 -10.484 -10.063 -0.812 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.792 -7.645 -0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.125 -8.568 -3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.791 -7.450 -2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.976 -9.981 -4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.901 -9.719 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.186 -11.786 -4.879 1.00 0.00 H new ATOM 492 N ASN A 35 -11.013 -6.336 -1.708 1.00 0.00 N ATOM 493 CA ASN A 35 -12.169 -5.465 -1.837 1.00 0.00 C ATOM 494 C ASN A 35 -12.112 -4.446 -0.723 1.00 0.00 C ATOM 495 O ASN A 35 -12.322 -4.771 0.446 1.00 0.00 O ATOM 496 CB ASN A 35 -13.563 -6.166 -1.951 1.00 0.00 C ATOM 497 CG ASN A 35 -14.667 -5.289 -2.584 1.00 0.00 C ATOM 498 OD1 ASN A 35 -14.444 -4.132 -2.964 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.893 -5.885 -2.699 1.00 0.00 N ATOM 0 H ASN A 35 -10.213 -5.966 -2.221 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.094 -4.982 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.452 -7.074 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.885 -6.472 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.672 -5.373 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.028 -6.841 -2.371 1.00 0.00 H new ATOM 506 N TYR A 36 -11.821 -3.177 -1.100 1.00 0.00 N ATOM 507 CA TYR A 36 -11.712 -2.035 -0.217 1.00 0.00 C ATOM 508 C TYR A 36 -12.536 -0.910 -0.768 1.00 0.00 C ATOM 509 O TYR A 36 -13.596 -0.592 -0.227 1.00 0.00 O ATOM 510 CB TYR A 36 -10.263 -1.587 0.135 1.00 0.00 C ATOM 511 CG TYR A 36 -9.349 -2.773 0.368 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.327 -3.364 1.645 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.502 -3.296 -0.630 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.492 -4.452 1.920 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.664 -4.386 -0.357 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.660 -4.967 0.919 1.00 0.00 C ATOM 517 OH TYR A 36 -6.818 -6.063 1.210 1.00 0.00 O ATOM 0 H TYR A 36 -11.652 -2.932 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.105 -2.355 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.865 -0.975 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.282 -0.962 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.964 -2.972 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.499 -2.853 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.489 -4.895 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.021 -4.779 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.143 -6.859 0.740 1.00 0.00 H new ATOM 597 N ASN A 42 -9.839 5.780 -8.605 1.00 0.00 N ATOM 598 CA ASN A 42 -8.398 5.741 -8.445 1.00 0.00 C ATOM 599 C ASN A 42 -7.929 7.157 -8.735 1.00 0.00 C ATOM 600 O ASN A 42 -7.175 7.404 -9.675 1.00 0.00 O ATOM 601 CB ASN A 42 -7.669 4.613 -9.247 1.00 0.00 C ATOM 602 CG ASN A 42 -6.151 4.519 -8.970 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.705 4.743 -7.837 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.359 4.180 -10.031 1.00 0.00 N ATOM 0 HA ASN A 42 -8.126 5.445 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.131 3.655 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.823 4.783 -10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.349 4.101 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.778 4.006 -10.945 1.00 0.00 H new ATOM 611 N ASP A 43 -8.433 8.117 -7.919 1.00 0.00 N ATOM 612 CA ASP A 43 -8.109 9.525 -8.025 1.00 0.00 C ATOM 613 C ASP A 43 -7.256 9.964 -6.883 1.00 0.00 C ATOM 614 O ASP A 43 -6.197 10.552 -7.102 1.00 0.00 O ATOM 615 CB ASP A 43 -9.327 10.507 -8.053 1.00 0.00 C ATOM 616 CG ASP A 43 -10.660 10.031 -7.441 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.700 9.707 -6.228 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.670 10.024 -8.197 1.00 0.00 O ATOM 0 H ASP A 43 -9.085 7.910 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.604 9.584 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.031 11.420 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.515 10.775 -9.093 1.00 0.00 H new ATOM 623 N CYS A 44 -7.721 9.712 -5.637 1.00 0.00 N ATOM 624 CA CYS A 44 -7.145 10.185 -4.414 1.00 0.00 C ATOM 625 C CYS A 44 -5.708 9.753 -4.197 1.00 0.00 C ATOM 626 O CYS A 44 -5.334 8.612 -4.458 1.00 0.00 O ATOM 627 CB CYS A 44 -8.020 9.845 -3.158 1.00 0.00 C ATOM 628 SG CYS A 44 -9.328 8.567 -3.349 1.00 0.00 S ATOM 0 H CYS A 44 -8.552 9.142 -5.480 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.129 11.269 -4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.351 9.523 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.497 10.766 -2.822 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.057 7.551 -2.585 1.00 0.00 H new ATOM 633 N ILE A 45 -4.869 10.704 -3.711 1.00 0.00 N ATOM 634 CA ILE A 45 -3.457 10.509 -3.437 1.00 0.00 C ATOM 635 C ILE A 45 -3.399 9.939 -2.052 1.00 0.00 C ATOM 636 O ILE A 45 -4.185 10.324 -1.191 1.00 0.00 O ATOM 637 CB ILE A 45 -2.616 11.822 -3.533 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.822 12.541 -4.891 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.107 11.634 -3.229 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.422 11.722 -6.128 1.00 0.00 C ATOM 0 H ILE A 45 -5.185 11.650 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.018 9.849 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.003 12.461 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.872 12.819 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.247 13.467 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.596 12.593 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.985 11.250 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.678 10.927 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.603 12.310 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.364 11.466 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.015 10.808 -6.167 1.00 0.00 H new ATOM 652 N ILE A 46 -2.464 8.988 -1.839 1.00 0.00 N ATOM 653 CA ILE A 46 -2.261 8.286 -0.599 1.00 0.00 C ATOM 654 C ILE A 46 -0.892 8.706 -0.170 1.00 0.00 C ATOM 655 O ILE A 46 0.101 8.510 -0.869 1.00 0.00 O ATOM 656 CB ILE A 46 -2.488 6.748 -0.784 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.889 6.295 -0.312 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.444 5.778 -0.192 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.063 7.202 -0.658 1.00 0.00 C ATOM 0 H ILE A 46 -1.816 8.693 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.976 8.529 0.187 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.375 6.667 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.086 5.310 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.860 6.177 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.741 4.751 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.470 5.973 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.382 5.924 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.985 6.769 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.908 8.184 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.138 7.303 -1.741 1.00 0.00 H new ATOM 671 N ASP A 47 -0.850 9.325 1.024 1.00 0.00 N ATOM 672 CA ASP A 47 0.347 9.791 1.660 1.00 0.00 C ATOM 673 C ASP A 47 0.027 9.679 3.125 1.00 0.00 C ATOM 674 O ASP A 47 -0.963 9.053 3.491 1.00 0.00 O ATOM 675 CB ASP A 47 0.876 11.175 1.185 1.00 0.00 C ATOM 676 CG ASP A 47 -0.089 12.357 1.388 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.135 12.400 0.687 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.216 13.229 2.245 1.00 0.00 O ATOM 0 H ASP A 47 -1.690 9.510 1.573 1.00 0.00 H new ATOM 0 HA ASP A 47 1.214 9.191 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.804 11.391 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.122 11.107 0.125 1.00 0.00 H new ATOM 683 N LYS A 48 0.857 10.305 3.998 1.00 0.00 N ATOM 684 CA LYS A 48 0.798 10.236 5.449 1.00 0.00 C ATOM 685 C LYS A 48 -0.415 10.899 6.076 1.00 0.00 C ATOM 686 O LYS A 48 -0.617 10.817 7.286 1.00 0.00 O ATOM 687 CB LYS A 48 2.079 10.838 6.079 1.00 0.00 C ATOM 688 CG LYS A 48 2.508 10.172 7.401 1.00 0.00 C ATOM 689 CD LYS A 48 3.779 10.766 8.041 1.00 0.00 C ATOM 690 CE LYS A 48 3.582 12.178 8.619 1.00 0.00 C ATOM 691 NZ LYS A 48 4.785 12.643 9.310 1.00 0.00 N ATOM 0 H LYS A 48 1.620 10.899 3.673 1.00 0.00 H new ATOM 0 HA LYS A 48 0.715 9.171 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.896 10.755 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.917 11.901 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.688 10.251 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.672 9.110 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.118 10.102 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.571 10.797 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.331 12.870 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.740 12.175 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.621 13.598 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.009 11.994 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.581 12.668 8.642 1.00 0.00 H new ATOM 705 N ILE A 49 -1.238 11.577 5.246 1.00 0.00 N ATOM 706 CA ILE A 49 -2.389 12.336 5.660 1.00 0.00 C ATOM 707 C ILE A 49 -3.616 11.742 5.037 1.00 0.00 C ATOM 708 O ILE A 49 -4.603 11.473 5.719 1.00 0.00 O ATOM 709 CB ILE A 49 -2.210 13.837 5.267 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.049 14.511 6.043 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.506 14.676 5.328 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.235 14.586 7.568 1.00 0.00 C ATOM 0 H ILE A 49 -1.094 11.597 4.236 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.497 12.293 6.744 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.937 13.815 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.128 13.967 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.916 15.523 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.288 15.704 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.244 14.256 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.902 14.660 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.370 15.074 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.134 15.159 7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.334 13.579 7.972 1.00 0.00 H new ATOM 724 N ARG A 50 -3.564 11.559 3.704 1.00 0.00 N ATOM 725 CA ARG A 50 -4.668 11.139 2.863 1.00 0.00 C ATOM 726 C ARG A 50 -4.863 9.640 2.801 1.00 0.00 C ATOM 727 O ARG A 50 -5.694 9.146 2.041 1.00 0.00 O ATOM 728 CB ARG A 50 -4.505 11.689 1.434 1.00 0.00 C ATOM 729 CG ARG A 50 -4.507 13.228 1.361 1.00 0.00 C ATOM 730 CD ARG A 50 -4.430 13.748 -0.087 1.00 0.00 C ATOM 731 NE ARG A 50 -4.394 15.258 -0.102 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.492 16.035 0.170 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.765 15.558 0.048 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.302 17.333 0.557 1.00 0.00 N ATOM 0 H ARG A 50 -2.706 11.710 3.173 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.560 11.554 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.571 11.315 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.312 11.303 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.412 13.610 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.662 13.617 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.540 13.352 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.290 13.393 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.513 15.721 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.923 14.596 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.559 16.163 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.357 17.708 0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.105 17.926 0.764 1.00 0.00 H new ATOM 748 N ARG A 51 -4.141 8.892 3.668 1.00 0.00 N ATOM 749 CA ARG A 51 -4.157 7.438 3.784 1.00 0.00 C ATOM 750 C ARG A 51 -5.468 6.912 4.351 1.00 0.00 C ATOM 751 O ARG A 51 -5.844 5.766 4.104 1.00 0.00 O ATOM 752 CB ARG A 51 -2.884 6.917 4.522 1.00 0.00 C ATOM 753 CG ARG A 51 -2.979 5.834 5.623 1.00 0.00 C ATOM 754 CD ARG A 51 -3.345 6.402 7.012 1.00 0.00 C ATOM 755 NE ARG A 51 -3.542 5.283 8.008 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.508 4.533 8.510 1.00 0.00 C ATOM 757 NH1 ARG A 51 -1.214 4.966 8.474 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.790 3.320 9.075 1.00 0.00 N ATOM 0 H ARG A 51 -3.501 9.322 4.336 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.111 7.021 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.208 6.534 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.400 7.784 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.726 5.095 5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.025 5.312 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.556 7.069 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.256 6.996 6.940 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.490 5.075 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.991 5.873 8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.470 4.382 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.754 2.989 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.037 2.746 9.454 1.00 0.00 H new ATOM 772 N LYS A 52 -6.184 7.770 5.125 1.00 0.00 N ATOM 773 CA LYS A 52 -7.410 7.475 5.839 1.00 0.00 C ATOM 774 C LYS A 52 -8.663 7.716 5.036 1.00 0.00 C ATOM 775 O LYS A 52 -9.773 7.706 5.570 1.00 0.00 O ATOM 776 CB LYS A 52 -7.469 8.265 7.165 1.00 0.00 C ATOM 777 CG LYS A 52 -7.312 9.805 7.100 1.00 0.00 C ATOM 778 CD LYS A 52 -8.571 10.623 6.747 1.00 0.00 C ATOM 779 CE LYS A 52 -9.712 10.508 7.776 1.00 0.00 C ATOM 780 NZ LYS A 52 -10.858 11.332 7.392 1.00 0.00 N ATOM 0 H LYS A 52 -5.886 8.736 5.261 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.382 6.405 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.424 8.046 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.689 7.877 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.945 10.149 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.541 10.036 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.292 11.672 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.940 10.297 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.023 9.467 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.352 10.816 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.610 11.234 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.565 12.328 7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.215 11.020 6.466 1.00 0.00 H new ATOM 794 N ASN A 53 -8.493 7.927 3.716 1.00 0.00 N ATOM 795 CA ASN A 53 -9.532 8.186 2.743 1.00 0.00 C ATOM 796 C ASN A 53 -9.949 6.870 2.147 1.00 0.00 C ATOM 797 O ASN A 53 -11.117 6.686 1.807 1.00 0.00 O ATOM 798 CB ASN A 53 -9.111 9.149 1.591 1.00 0.00 C ATOM 799 CG ASN A 53 -9.133 10.624 2.039 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.978 11.394 1.566 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.194 11.013 2.953 1.00 0.00 N ATOM 0 H ASN A 53 -7.565 7.917 3.292 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.344 8.685 3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.110 8.889 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.783 9.017 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.168 11.980 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.520 10.336 3.311 1.00 0.00 H new ATOM 808 N CYS A 54 -8.987 5.921 2.008 1.00 0.00 N ATOM 809 CA CYS A 54 -9.249 4.622 1.433 1.00 0.00 C ATOM 810 C CYS A 54 -8.018 3.759 1.665 1.00 0.00 C ATOM 811 O CYS A 54 -6.898 4.244 1.497 1.00 0.00 O ATOM 812 CB CYS A 54 -9.586 4.644 -0.094 1.00 0.00 C ATOM 813 SG CYS A 54 -8.463 5.723 -1.045 1.00 0.00 S ATOM 0 H CYS A 54 -8.018 6.057 2.298 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.139 4.225 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.530 3.630 -0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.613 4.984 -0.231 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.280 5.222 -2.231 1.00 0.00 H new ATOM 818 N PRO A 55 -8.199 2.456 1.965 1.00 0.00 N ATOM 819 CA PRO A 55 -7.152 1.451 1.844 1.00 0.00 C ATOM 820 C PRO A 55 -7.319 0.740 0.504 1.00 0.00 C ATOM 821 O PRO A 55 -7.302 -0.486 0.453 1.00 0.00 O ATOM 822 CB PRO A 55 -7.403 0.560 3.053 1.00 0.00 C ATOM 823 CG PRO A 55 -8.922 0.605 3.273 1.00 0.00 C ATOM 824 CD PRO A 55 -9.353 1.969 2.717 1.00 0.00 C ATOM 0 HA PRO A 55 -6.128 1.823 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.061 -0.459 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.867 0.924 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.422 -0.211 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.173 0.510 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.230 1.874 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.618 2.656 3.520 1.00 0.00 H new ATOM 832 N ALA A 56 -7.477 1.495 -0.620 1.00 0.00 N ATOM 833 CA ALA A 56 -7.679 1.010 -1.962 1.00 0.00 C ATOM 834 C ALA A 56 -6.589 1.544 -2.839 1.00 0.00 C ATOM 835 O ALA A 56 -5.897 0.767 -3.490 1.00 0.00 O ATOM 836 CB ALA A 56 -9.016 1.455 -2.555 1.00 0.00 C ATOM 0 H ALA A 56 -7.461 2.514 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.672 -0.079 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.115 1.061 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.831 1.078 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.057 2.544 -2.584 1.00 0.00 H new ATOM 842 N CYS A 57 -6.399 2.895 -2.858 1.00 0.00 N ATOM 843 CA CYS A 57 -5.380 3.613 -3.592 1.00 0.00 C ATOM 844 C CYS A 57 -3.984 3.249 -3.197 1.00 0.00 C ATOM 845 O CYS A 57 -3.091 3.252 -4.032 1.00 0.00 O ATOM 846 CB CYS A 57 -5.538 5.139 -3.517 1.00 0.00 C ATOM 847 SG CYS A 57 -6.954 5.760 -4.488 1.00 0.00 S ATOM 0 H CYS A 57 -6.999 3.523 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.538 3.294 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.662 5.435 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.624 5.611 -3.876 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.553 6.705 -3.826 1.00 0.00 H new ATOM 852 N ARG A 58 -3.803 2.865 -1.917 1.00 0.00 N ATOM 853 CA ARG A 58 -2.588 2.363 -1.319 1.00 0.00 C ATOM 854 C ARG A 58 -2.110 1.094 -1.982 1.00 0.00 C ATOM 855 O ARG A 58 -0.910 0.843 -2.037 1.00 0.00 O ATOM 856 CB ARG A 58 -2.726 1.991 0.180 1.00 0.00 C ATOM 857 CG ARG A 58 -3.327 3.082 1.081 1.00 0.00 C ATOM 858 CD ARG A 58 -2.581 3.295 2.415 1.00 0.00 C ATOM 859 NE ARG A 58 -2.643 2.064 3.287 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.782 1.686 3.952 1.00 0.00 C ATOM 861 NH1 ARG A 58 -4.746 2.590 4.293 1.00 0.00 N ATOM 862 NH2 ARG A 58 -3.942 0.374 4.294 1.00 0.00 N ATOM 0 H ARG A 58 -4.567 2.908 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.893 3.193 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.345 1.097 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.740 1.730 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.338 4.023 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.364 2.826 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.540 3.548 2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.018 4.141 2.946 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.805 1.491 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.629 3.575 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.583 2.281 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.221 -0.307 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.782 0.075 4.789 1.00 0.00 H new ATOM 876 N TYR A 59 -3.060 0.259 -2.500 1.00 0.00 N ATOM 877 CA TYR A 59 -2.770 -1.009 -3.155 1.00 0.00 C ATOM 878 C TYR A 59 -2.246 -0.698 -4.536 1.00 0.00 C ATOM 879 O TYR A 59 -1.294 -1.318 -5.004 1.00 0.00 O ATOM 880 CB TYR A 59 -4.021 -1.923 -3.224 1.00 0.00 C ATOM 881 CG TYR A 59 -3.793 -3.298 -3.845 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.745 -4.150 -3.436 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.653 -3.741 -4.867 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.557 -5.400 -4.047 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.474 -4.991 -5.469 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.423 -5.819 -5.063 1.00 0.00 C ATOM 887 OH TYR A 59 -3.235 -7.072 -5.690 1.00 0.00 O ATOM 0 H TYR A 59 -4.057 0.472 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.026 -1.560 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.407 -2.059 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.795 -1.409 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.080 -3.837 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.464 -3.106 -5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.744 -6.038 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.148 -5.317 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.927 -7.204 -6.372 1.00 0.00 H new ATOM 897 N ARG A 60 -2.836 0.348 -5.168 1.00 0.00 N ATOM 898 CA ARG A 60 -2.497 0.858 -6.478 1.00 0.00 C ATOM 899 C ARG A 60 -1.132 1.510 -6.478 1.00 0.00 C ATOM 900 O ARG A 60 -0.341 1.315 -7.396 1.00 0.00 O ATOM 901 CB ARG A 60 -3.540 1.856 -7.034 1.00 0.00 C ATOM 902 CG ARG A 60 -5.010 1.381 -6.989 1.00 0.00 C ATOM 903 CD ARG A 60 -5.418 0.355 -8.062 1.00 0.00 C ATOM 904 NE ARG A 60 -4.910 -1.015 -7.694 1.00 0.00 N ATOM 905 CZ ARG A 60 -5.327 -2.137 -8.362 1.00 0.00 C ATOM 906 NH1 ARG A 60 -6.517 -2.179 -9.031 1.00 0.00 N ATOM 907 NH2 ARG A 60 -4.533 -3.249 -8.348 1.00 0.00 N ATOM 0 H ARG A 60 -3.598 0.871 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.489 -0.012 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.461 2.787 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.282 2.084 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.202 0.947 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.657 2.253 -7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.503 0.334 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.016 0.652 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.240 -1.110 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.124 -1.360 -9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.798 -3.030 -9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.645 -3.236 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.828 -4.093 -8.840 1.00 0.00 H new ATOM 921 N LYS A 61 -0.841 2.273 -5.392 1.00 0.00 N ATOM 922 CA LYS A 61 0.329 3.090 -5.191 1.00 0.00 C ATOM 923 C LYS A 61 1.569 2.290 -4.920 1.00 0.00 C ATOM 924 O LYS A 61 2.619 2.556 -5.500 1.00 0.00 O ATOM 925 CB LYS A 61 0.075 4.205 -4.156 1.00 0.00 C ATOM 926 CG LYS A 61 1.044 5.392 -4.285 1.00 0.00 C ATOM 927 CD LYS A 61 0.527 6.692 -3.639 1.00 0.00 C ATOM 928 CE LYS A 61 1.451 7.909 -3.836 1.00 0.00 C ATOM 929 NZ LYS A 61 2.732 7.758 -3.146 1.00 0.00 N ATOM 0 H LYS A 61 -1.476 2.319 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 61 0.529 3.592 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.947 4.567 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.158 3.785 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.996 5.123 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.240 5.576 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.454 6.925 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.390 6.524 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.631 8.056 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.949 8.805 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.112 8.697 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.593 7.212 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.402 7.258 -3.764 1.00 0.00 H new ATOM 943 N CYS A 62 1.436 1.241 -4.072 1.00 0.00 N ATOM 944 CA CYS A 62 2.483 0.309 -3.698 1.00 0.00 C ATOM 945 C CYS A 62 2.930 -0.537 -4.877 1.00 0.00 C ATOM 946 O CYS A 62 4.118 -0.807 -5.036 1.00 0.00 O ATOM 947 CB CYS A 62 2.161 -0.515 -2.418 1.00 0.00 C ATOM 948 SG CYS A 62 0.937 -1.861 -2.549 1.00 0.00 S ATOM 0 H CYS A 62 0.547 1.028 -3.619 1.00 0.00 H new ATOM 0 HA CYS A 62 3.344 0.912 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.094 -0.947 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.813 0.179 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 62 1.540 -3.008 -2.445 1.00 0.00 H new ATOM 954 N LEU A 63 1.964 -0.901 -5.770 1.00 0.00 N ATOM 955 CA LEU A 63 2.156 -1.662 -6.993 1.00 0.00 C ATOM 956 C LEU A 63 2.931 -0.842 -7.997 1.00 0.00 C ATOM 957 O LEU A 63 3.839 -1.355 -8.650 1.00 0.00 O ATOM 958 CB LEU A 63 0.830 -2.141 -7.633 1.00 0.00 C ATOM 959 CG LEU A 63 0.218 -3.403 -6.980 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.242 -3.611 -7.428 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.066 -4.660 -7.257 1.00 0.00 C ATOM 0 H LEU A 63 0.987 -0.647 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 63 2.716 -2.554 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.103 -1.331 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.004 -2.343 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 63 0.220 -3.240 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.645 -4.505 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.838 -2.746 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.277 -3.729 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.602 -5.524 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.128 -4.827 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.069 -4.519 -6.854 1.00 0.00 H new ATOM 973 N GLN A 64 2.605 0.482 -8.080 1.00 0.00 N ATOM 974 CA GLN A 64 3.225 1.478 -8.936 1.00 0.00 C ATOM 975 C GLN A 64 4.659 1.723 -8.534 1.00 0.00 C ATOM 976 O GLN A 64 5.511 2.010 -9.375 1.00 0.00 O ATOM 977 CB GLN A 64 2.441 2.813 -8.980 1.00 0.00 C ATOM 978 CG GLN A 64 1.170 2.767 -9.861 1.00 0.00 C ATOM 979 CD GLN A 64 1.526 2.884 -11.354 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.822 3.984 -11.838 1.00 0.00 O ATOM 981 NE2 GLN A 64 1.501 1.726 -12.078 1.00 0.00 N ATOM 0 H GLN A 64 1.859 0.880 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 64 3.204 1.065 -9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.157 3.089 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.100 3.598 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.634 1.834 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.499 3.578 -9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.249 0.847 -11.626 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.734 1.740 -13.071 1.00 0.00 H new ATOM 990 N ALA A 65 4.940 1.539 -7.217 1.00 0.00 N ATOM 991 CA ALA A 65 6.231 1.682 -6.570 1.00 0.00 C ATOM 992 C ALA A 65 7.175 0.597 -7.023 1.00 0.00 C ATOM 993 O ALA A 65 8.357 0.843 -7.259 1.00 0.00 O ATOM 994 CB ALA A 65 6.157 1.763 -5.037 1.00 0.00 C ATOM 0 H ALA A 65 4.212 1.271 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 65 6.624 2.648 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.162 1.869 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.555 2.624 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.701 0.853 -4.646 1.00 0.00 H new ATOM 1000 N GLY A 66 6.620 -0.629 -7.160 1.00 0.00 N ATOM 1001 CA GLY A 66 7.302 -1.790 -7.686 1.00 0.00 C ATOM 1002 C GLY A 66 7.250 -2.947 -6.741 1.00 0.00 C ATOM 1003 O GLY A 66 8.105 -3.829 -6.818 1.00 0.00 O ATOM 0 H GLY A 66 5.655 -0.823 -6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.850 -2.077 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.342 -1.537 -7.892 1.00 0.00 H new ATOM 1007 N MET A 67 6.226 -3.000 -5.835 1.00 0.00 N ATOM 1008 CA MET A 67 6.056 -4.041 -4.815 1.00 0.00 C ATOM 1009 C MET A 67 5.777 -5.377 -5.458 1.00 0.00 C ATOM 1010 O MET A 67 5.170 -5.428 -6.529 1.00 0.00 O ATOM 1011 CB MET A 67 4.911 -3.753 -3.818 1.00 0.00 C ATOM 1012 CG MET A 67 5.273 -2.773 -2.685 1.00 0.00 C ATOM 1013 SD MET A 67 6.292 -3.545 -1.378 1.00 0.00 S ATOM 1014 CE MET A 67 5.040 -4.408 -0.380 1.00 0.00 C ATOM 0 H MET A 67 5.488 -2.296 -5.807 1.00 0.00 H new ATOM 0 HA MET A 67 6.996 -4.053 -4.263 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.061 -3.351 -4.369 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.588 -4.695 -3.375 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.811 -1.923 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.357 -2.383 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.455 -4.644 0.600 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.166 -3.767 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.747 -5.330 -0.882 1.00 0.00 H new ATOM 1024 N ASN A 68 6.225 -6.493 -4.823 1.00 0.00 N ATOM 1025 CA ASN A 68 5.996 -7.794 -5.409 1.00 0.00 C ATOM 1026 C ASN A 68 6.200 -8.788 -4.320 1.00 0.00 C ATOM 1027 O ASN A 68 7.258 -8.881 -3.710 1.00 0.00 O ATOM 1028 CB ASN A 68 6.907 -8.132 -6.637 1.00 0.00 C ATOM 1029 CG ASN A 68 6.373 -9.234 -7.581 1.00 0.00 C ATOM 1030 OD1 ASN A 68 7.146 -10.088 -8.029 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.042 -9.201 -7.879 1.00 0.00 N ATOM 0 H ASN A 68 6.728 -6.497 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 68 4.985 -7.813 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.056 -7.222 -7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.886 -8.438 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.641 -9.904 -8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.448 -8.473 -7.481 1.00 0.00 H new ATOM 1038 N LEU A 69 5.151 -9.593 -4.078 1.00 0.00 N ATOM 1039 CA LEU A 69 5.086 -10.632 -3.079 1.00 0.00 C ATOM 1040 C LEU A 69 5.564 -11.848 -3.836 1.00 0.00 C ATOM 1041 O LEU A 69 4.793 -12.569 -4.466 1.00 0.00 O ATOM 1042 CB LEU A 69 3.666 -10.716 -2.467 1.00 0.00 C ATOM 1043 CG LEU A 69 3.292 -11.983 -1.662 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.068 -12.091 -0.341 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.773 -12.048 -1.438 1.00 0.00 C ATOM 0 H LEU A 69 4.286 -9.518 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 69 5.702 -10.477 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.534 -9.854 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.946 -10.613 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 69 3.587 -12.848 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.768 -12.998 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.137 -12.130 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.851 -11.223 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.527 -12.945 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.449 -11.167 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.264 -12.077 -2.401 1.00 0.00 H new ATOM 1057 N GLU A 70 6.913 -11.999 -3.788 1.00 0.00 N ATOM 1058 CA GLU A 70 7.805 -12.931 -4.444 1.00 0.00 C ATOM 1059 C GLU A 70 8.594 -12.058 -5.385 1.00 0.00 C ATOM 1060 O GLU A 70 8.596 -12.243 -6.601 1.00 0.00 O ATOM 1061 CB GLU A 70 7.240 -14.183 -5.157 1.00 0.00 C ATOM 1062 CG GLU A 70 6.538 -15.190 -4.218 1.00 0.00 C ATOM 1063 CD GLU A 70 5.913 -16.337 -5.018 1.00 0.00 C ATOM 1064 OE1 GLU A 70 6.681 -17.108 -5.655 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.659 -16.459 -4.998 1.00 0.00 O ATOM 0 H GLU A 70 7.455 -11.368 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 70 8.370 -13.442 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.532 -13.862 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.055 -14.692 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.257 -15.589 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.766 -14.680 -3.642 1.00 0.00 H new ATOM 1072 N ALA A 71 9.287 -11.062 -4.781 1.00 0.00 N ATOM 1073 CA ALA A 71 10.102 -10.052 -5.430 1.00 0.00 C ATOM 1074 C ALA A 71 11.534 -10.518 -5.431 1.00 0.00 C ATOM 1075 O ALA A 71 11.924 -11.388 -4.651 1.00 0.00 O ATOM 1076 CB ALA A 71 10.046 -8.685 -4.712 1.00 0.00 C ATOM 0 H ALA A 71 9.280 -10.952 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 71 9.711 -9.918 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.675 -7.970 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.018 -8.324 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.406 -8.796 -3.689 1.00 0.00 H new ATOM 1082 N ARG A 72 12.342 -9.918 -6.336 1.00 0.00 N ATOM 1083 CA ARG A 72 13.745 -10.204 -6.517 1.00 0.00 C ATOM 1084 C ARG A 72 14.366 -8.853 -6.910 1.00 0.00 C ATOM 1085 O ARG A 72 15.239 -8.362 -6.145 1.00 0.00 O ATOM 1086 CB ARG A 72 13.990 -11.299 -7.589 1.00 0.00 C ATOM 1087 CG ARG A 72 15.448 -11.779 -7.774 1.00 0.00 C ATOM 1088 CD ARG A 72 16.298 -10.905 -8.714 1.00 0.00 C ATOM 1089 NE ARG A 72 17.630 -11.577 -8.930 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.667 -10.949 -9.572 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.739 -9.589 -9.674 1.00 0.00 N ATOM 1092 NH2 ARG A 72 19.661 -11.710 -10.120 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.977 -8.299 -7.973 1.00 0.00 O ATOM 0 H ARG A 72 12.002 -9.198 -6.973 1.00 0.00 H new ATOM 0 HA ARG A 72 14.197 -10.612 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.377 -12.164 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.632 -10.923 -8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.931 -11.815 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.434 -12.798 -8.161 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.786 -10.767 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.441 -9.914 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 72 17.764 -12.529 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.007 -9.007 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.525 -9.155 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.624 -12.727 -10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.440 -11.261 -10.601 1.00 0.00 H new